2-Naphthaldehyde

2-Naphthaldehyde

SCHEMBL5206558

Cc1oc(-c2ccc3ccccc3c2)nc1CI.O=Cc1ccc2ccccc2c1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 1/20 0.40
UTRN P46939 5/20 0.39
AHR P35869 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1051303 0.89 ALDH1A1 (0.51) DRD2HTR2AHRH1ALDH1A1MEN1
2-Naphthaldehyde SCHEMBL4258154 0.86 UTRN (0.40) DRD2HTR2AHRH1ALDH1A1MEN1
SCHEMBL4034465 0.81 RAB9A (0.53) ALDH1A1MEN1POLBKMT2AL3MBTL1
Cuminaldehyde SCHEMBL4262679 0.78 TYR (0.47) POLBSMN1; SMN2HSD17B10NOTUMKDM4E
Anisaldehyde SCHEMBL4253513 0.78 LMNA (0.50) ALDH1A1MEN1POLBKMT2AHPGD
SCHEMBL9520936 0.78 PPARG (0.43) DRD2HTR2AHRH1ALDH1A1MEN1
SCHEMBL4253581 0.78 ALDH1A1 (0.47) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL7486298 0.77 KDM4E (0.46) DRD2HTR2AHRH1ALDH1A1MEN1
SCHEMBL7486296 0.77 KDM4E (0.46) DRD2HTR2AHRH1ALDH1A1MEN1
SCHEMBL7563293 0.75 KDR (0.60) KDM4EPPARGPPARAKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599452-B1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-06-20 EP disclosed